Yuji Mochizuki

Professor

Ritsumeikan University

Japan

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Articles (17)

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2024

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2024

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2024

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2024

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2024

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2023

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2023

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2023

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2023

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2023

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2022

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2022

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2021

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2021

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2021

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2021

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2021

Collaborators (11)

Koichiro Takao

Associate Professor

Tokyo Institute of Technology

JAPAN

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Hirotoshi Mori

Professor (Full)

Chuo Daigaku - Korakuen Campus

JAPAN

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Kaori Fukuzawa

Hoshi University

JAPAN

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Etsuo Yonemochi

Professor

JAPAN

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Koji Okuwaki

Assistant Professor

Ritsumeikan University

JAPAN

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Takayuki Furuishi

Assistant Professor

JAPAN

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Yuto Komeiji

Guest Professor

Osaka University

JAPAN

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Takeshi Ishikawa

Kagoshima University

JAPAN

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Satoru Tsushima

Tokyo Institute of Technology

JAPAN

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Kenji Sugisaki

Project Associate Professor

Keio University

JAPAN

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Shigenori Tanaka

Kobe University

JAPAN

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Yuji Mochizuki

Research Interests

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Articles (17)

Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations

Size‐consistency and orbital‐invariance issues revealed by VQE‐UCCSD calculations with the FMO scheme

Enhancement of energy decomposition analysis in fragment molecular orbital calculations

DPD simulation to reproduce lipid membrane microdomains based on fragment molecular orbital calculations

Towards tailoring hydrophobic interaction with uranyl(vi) oxygen for C–H activation

Dissipative particle dynamics simulation for peptoid nanosheet with non-empirical parameter set

Machine learning to improve efficiency of non-empirical interaction parameter for dissipative particle dynamics (DPD) simulation

Practical Computational Chemistry Course for a Comprehensive Understanding of Organic, Inorganic, and Physical Chemistry: From Molecular Interactions to Chemical Reactions

Bayesian phase difference estimation algorithm for direct calculation of fine structure splitting: accelerated simulation of relativistic and quantum many-body effects

Development of reverse mapping system bridging dissipative particle dynamics and fragment molecular orbital calculation

Collective residue interactions in trimer complexes of SARS-CoV-2 spike proteins analyzed by fragment molecular orbital method

Variational quantum eigensolver simulations with the multireference unitary coupled cluster ansatz: a case study of the C2v quasi-reaction pathway of beryllium insertion into a H2 molecule

Interaction Analysis on the SARS-CoV-2 Spike Protein Receptor Binding Domain Using Visualization of the Interfacial Electrostatic Complementarity

Fragment molecular orbital based interaction analyses on complexes between SARS-CoV-2 RBD variants and ACE2

Dynamic Cooperativity of Ligand–Residue Interactions Evaluated with the Fragment Molecular Orbital Method

Density-Matrix Based Scheme of Basis Selection for Linear Combination of Fragment Molecular Orbitals

Statistical interaction analyses between SARS-CoV-2 main protease and inhibitor N3 by combining molecular dynamics simulation and fragment molecular orbital calculation

Collaborators (11)

Koichiro Takao

Hirotoshi Mori

Kaori Fukuzawa

Etsuo Yonemochi

Koji Okuwaki

Takayuki Furuishi

Yuto Komeiji

Takeshi Ishikawa

Satoru Tsushima

Kenji Sugisaki

Shigenori Tanaka

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